Chemistry
Ab Initio Calculation
100%
Absorption Maxima
18%
Anharmonicity
6%
Anthracene
18%
Atomic Integral
18%
Atomic Orbital
32%
Azo Compound
18%
Butadiene
18%
Calculation Method
21%
Carbon Atom
18%
CCSD
7%
Circular Dichroism
72%
Configuration Interaction
27%
Cyclohexadiene
18%
Density Functional Theory
29%
DFT-B3LYP Calculation
28%
Dihydrogen
18%
Enantiomer
18%
Field Theory
6%
Ground State
6%
Hartree-Fock Calculation
30%
Imidazole
18%
k·p perturbation theory
6%
Magnetic Field
6%
Molecular Geometry
9%
Møller-Plesset Perturbation Theory
7%
Naphthalene
18%
NMR Spectroscopy
18%
Octane
29%
Oscillator Strength
9%
Oxazole
18%
Purity
9%
Quantum Chemical Calculations
9%
Random Phase Approximation
19%
Red
18%
Rotational Constant
18%
Rotational Spectra
18%
Thiazole
18%
Vibration Rotation Interaction Constant
18%
Vibrational Circular Dichroism
41%
Wavenumber
9%
Physics
Configuration Interaction
27%
Density Functional Theory
36%
Field Theory (Physics)
27%
Ground State
6%
Harmonics
24%
Method Ab Initio
18%
Rotational Spectrum
18%
Self Consistent Field
30%
Engineering
Applicability
6%
Computational Effort
9%
Direct Approach
6%
Direct Implementation
6%
Eigenvalue
12%
Electronic Excitation
6%
Excitation Energy
36%
Excitation Spectrum
18%
Functionals
9%
Harmonics
18%
Linear Transformation
6%
Molecular Orbital
6%